BDBM50401950 CHEMBL2207634

SMILES: CCCC#Cc1cc(CN2CCN(CC2)c2ccccc2OC)c2cccccc12

InChI Key: InChIKey=RSTJJQONPRJAIE-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50401950   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401950 (CHEMBL2207634) Show SMILES CCCC#Cc1cc(CN2CCN(CC2)c2ccccc2OC)c2cccccc12 Show InChI InChI=1S/C27H30N2O/c1-3-4-6-11-22-20-23(25-13-8-5-7-12-24(22)25)21-28-16-18-29(19-17-28)26-14-9-10-15-27(26)30-2/h5,7-10,12-15,20H,3-4,16-19,21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO cells after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 22: 7151-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.064 BindingDB Entry DOI: 10.7270/Q2Q52QSM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401950 (CHEMBL2207634) Show SMILES CCCC#Cc1cc(CN2CCN(CC2)c2ccccc2OC)c2cccccc12 Show InChI InChI=1S/C27H30N2O/c1-3-4-6-11-22-20-23(25-13-8-5-7-12-24(22)25)21-28-16-18-29(19-17-28)26-14-9-10-15-27(26)30-2/h5,7-10,12-15,20H,3-4,16-19,21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 22: 7151-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.064 BindingDB Entry DOI: 10.7270/Q2Q52QSM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50401950 (CHEMBL2207634) Show SMILES CCCC#Cc1cc(CN2CCN(CC2)c2ccccc2OC)c2cccccc12 Show InChI InChI=1S/C27H30N2O/c1-3-4-6-11-22-20-23(25-13-8-5-7-12-24(22)25)21-28-16-18-29(19-17-28)26-14-9-10-15-27(26)30-2/h5,7-10,12-15,20H,3-4,16-19,21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 22: 7151-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.064 BindingDB Entry DOI: 10.7270/Q2Q52QSM
					More data for this Ligand-Target Pair
5-HT2 (PIG)	BDBM50401950 (CHEMBL2207634) Show SMILES CCCC#Cc1cc(CN2CCN(CC2)c2ccccc2OC)c2cccccc12 Show InChI InChI=1S/C27H30N2O/c1-3-4-6-11-22-20-23(25-13-8-5-7-12-24(22)25)21-28-16-18-29(19-17-28)26-14-9-10-15-27(26)30-2/h5,7-10,12-15,20H,3-4,16-19,21H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-HT2 receptor in porcine cerebral cortex homogenate after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 22: 7151-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.064 BindingDB Entry DOI: 10.7270/Q2Q52QSM
					More data for this Ligand-Target Pair
Dopamine D1 receptor (Sus scrofa)	BDBM50401950 (CHEMBL2207634) Show SMILES CCCC#Cc1cc(CN2CCN(CC2)c2ccccc2OC)c2cccccc12 Show InChI InChI=1S/C27H30N2O/c1-3-4-6-11-22-20-23(25-13-8-5-7-12-24(22)25)21-28-16-18-29(19-17-28)26-14-9-10-15-27(26)30-2/h5,7-10,12-15,20H,3-4,16-19,21H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor in porcine striatal membranes after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 22: 7151-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.064 BindingDB Entry DOI: 10.7270/Q2Q52QSM
					More data for this Ligand-Target Pair